4-(4-Bromophenylazo)phenol
Basic information
- CAS
3035-94-7- Standard SMILES
Oc1ccc(N=Nc2ccc(Br)cc2)cc1- InChIKey
YEBZABRSUREBDG-UHFFFAOYSA-N- Molecular formula
- C12H9BrN2O
- Average molar mass
- 277.12 g/mol
- Monoisotopic mass
- 275.98983
Names & identifiers
- Preferred name
- 4-(4-Bromophenylazo)phenol
- IUPAC
- 4-[(4-bromophenyl)diazenyl]phenol
- English name
- 4-(4-broMophenylazo)phenol
- Molecular formula
- C12H9BrN2O
- Molecular weight
- 277.12
Names & synonyms
4-(4-bromophenylazo)phenolRefChem:513970636-897-63035-94-7(E)-4-((4-Bromophenyl)diazenyl)phenol4-((4-bromophenyl)diazenyl)phenolPhenol, 4-[2-(4-bromophenyl)diazenyl]-4-[2-(4-bromophenyl)diazen-1-yl]phenol4-[(4-bromophenyl)diazenyl]phenol4-Bromo-4'-hydroxyazobenzene189265-71-2CHEMBL34712
Show more names
4-(4-Bromophenylazo)phenol >4-[(4-Bromophenyl)diazenyl]phenol4-[2-(4-Bromophenyl)diazenyl]phenol4-[(E)-(4-Bromophenyl)diazenyl]phenol4-[(4-bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
4-(4-Bromo-phenylazo)-phenolMFCD000939294-(p-Bromophenylazo)phenolBRN 09582074-((4-Bromophenyl)azo)phenolPhenol, p-((p-bromophenyl)azo)-AI3-09034Phenol, 4-((4-bromophenyl)azo)-
Database identifiers
- CAS
3035-94-7- PubChem CID
- 200980
- DTXSID
DTXSID00952696- ChEMBL
CHEMBL34712- EC Number
- 636-897-6
- Nikkaji
- J2.423.257C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 159 to · 159.0 to 163.0 °C
- Boiling point
- 426.3 · 426.3±30.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.15(Predicted)
- form
- powder to crystal
- color
- Orange to Brown
- λmax
- 335 nm · 335nm(THF)(lit.)
- InChI
- InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
- InChIKey
- YEBZABRSUREBDG-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N=NC2=CC=C(Br)C=C2)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338+P337+P313-P501
- RTECS
- 8380000 · SJ8380000
- HS Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- rtecs
- SJ8380000
- hs_code
- 2927.00.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P305+P351+P338+P337+P313-P501
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Related reactions
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Compound notes
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